3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol

C11H19N3O3S — CID 106130149

IUPAC3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1CCC(O)C1)COc1cnsn1
InChIInChI=1S/C11H19N3O3S/c15-9-2-1-8(3-9)4-12-5-10(16)7-17-11-6-13-18-14-11/h6,8-10,12,15-16H,1-5,7H2
InChIKeyCOKJXLHORWRERF-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.03
Rot. Bonds7

About 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol

3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol (PubChem CID 106130149) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol
PubChem CID106130149
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1CCC(O)C1)COc1cnsn1
InChIInChI=1S/C11H19N3O3S/c15-9-2-1-8(3-9)4-12-5-10(16)7-17-11-6-13-18-14-11/h6,8-10,12,15-16H,1-5,7H2
InChIKeyCOKJXLHORWRERF-UHFFFAOYSA-N
XLogP0.03
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxan-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54906125
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
3-[[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 106129230
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-[(1-ethylcyclopropyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114099960
1-(2-butoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 61171244
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol (CID 106130149) is 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol is OC(CNCC1CCC(O)C1)COc1cnsn1.
What is the InChIKey of 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is COKJXLHORWRERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c15-9-2-1-8(3-9)4-12-5-10(16)7-17-11-6-13-18-14-11/h6,8-10,12,15-16H,1-5,7H2.
What are the key properties of 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol?
3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 273.36 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106130149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).